3-(2,2,2-trifluoroethyl)aniline | 768335-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,2,2-trifluoroethyl)aniline
• CAS: 768335-16-6
• 化学式: C₈H₈F₃N
• mdl: MFCD20501911
• 分子量: 175.153
• InChiKey: FHLUOUXEXWHPHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2,2,2-trifluoroethyl)aniline 在 盐酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 3.0h， 以67%的产率得到1-iodo-3-(2,2,2-trifluoroethyl)benzene
  参考文献：
  名称：

  [EN] PYRIDIDNE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS
  [FR] DÉRIVÉS DE PYRIDINE-SULFONAMIDE UTILISÉS EN TANT QU'INHIBITEURS DES CANAUX SODIQUES

  摘要：

  该发明提供了式（I）的化合物或其药学上可接受的盐，其中变量Y1-Y6、X、Z、Z1、Z2、R2-R3和R6的含义如本文所述，并含有这种化合物的组合物以及使用这种化合物和组合物的方法。这些化合物具有钠通道阻滞活性，可用于治疗钠通道介导的疾病，特别是用于治疗疼痛。

  公开号：

  WO2019226687A1
• 作为产物：
  描述：

  3-硝基苯乙酸 在 palladium 10% on activated carbon 、 sulfur tetrafluoride 、 氢气 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 3-(2,2,2-trifluoroethyl)aniline
  参考文献：
  名称：

  A Facile Synthesis of Isomeric C-(2,2,2-Trifluoroethyl)anilines

  摘要：

  Three isomers of C-(2,2,2-trifluoroethyl) aniline were prepared on a multigram scale from readily available nitrophenylacetic acids in two steps. First, the carboxy groups of the latter were converted into the trifluoromethyl moieties by treatment with sulfur tetrafluoride. The obtained 2,2,2-trifluoroethyl-substituted nitrobenzenes were reduced catalytically into the corresponding anilines.

  DOI：

  10.1055/s-0031-1290295

文献信息

• [EN] INHIBITORS OF NECROPTOSIS<br/>[FR] INHIBITEURS DE NÉCROPTOSE
  申请人：CATALYST THERAPEUTICS PTY LTD

  公开号：WO2016127213A1

  公开（公告）日：2016-08-18

  The invention relates to novel heterocyclic compounds of Formula (I) which inhibit necroptosis and methods for their use. The compounds may be useful in the treatment of conditions associated with deregulated necroptosis.

  本发明涉及式(I)的新杂环化合物，这些化合物能抑制坏死性凋亡，并涉及它们的使用方法。这些化合物可能用于治疗与坏死性凋亡调节异常相关的病症。
• [EN] TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS<br/>[FR] COMPOSÉS PYRAZOLO[1,5-A] PYRIMIDINE TRISUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE CDK7
  申请人：TRANSLATIONAL GENOMICS RES INST

  公开号：WO2020186196A1

  公开（公告）日：2020-09-17

  Compounds having activity as cancer agents are provided. The compounds have the following structure (I) or a pharmaceutically acceptable salts, stereoisomers, tautomers, thereof, wherein R1, R2, R3 and L are as defined herein. This disclosure provides methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds, and methods for treating a CDK7-dependent disease (e.g., cancer).

  提供具有作为抗癌剂活性的化合物。这些化合物具有以下结构（I）或其药用可接受的盐、立体异构体、互变异构体，其中R1、R2、R3和L如本文所定义。本公开提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物，以及治疗CDK7依赖性疾病（例如癌症）的方法。
• [EN] SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS<br/>[FR] DÉRIVÉS DE SPIROCYCLOHEXANE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS ANTI-APOPTOTIQUES
  申请人：SERVIER LAB

  公开号：WO2022152705A1

  公开（公告）日：2022-07-21

  Compounds of Formula (I) wherein R1, R3, R11, R12, X, Y1, Y2, Y3, Y4and formula (II) are as defined in the description. Medicaments.

  公式（I）化合物，其中R1、R3、R11、R12、X、Y1、Y2、Y3、Y4和公式（II）如描述中所定义。药物。
• Palladium-Catalyzed 2,2,2-Trifluoroethylation of Organoboronic Acids and Esters
  作者：Yanchuan Zhao、Jinbo Hu

  DOI：10.1002/anie.201106742

  日期：2012.1.23
• Synthesis, Properties, and Pharmacokinetic Studies of N2-Phenylguanine Derivatives as Inhibitors of Herpes Simplex Virus Thymidine Kinases
  作者：Hongyan Xu、Giovanni Maga、Federico Focher、Emil R. Smith、Silvio Spadari、Joseph Gambino、George E. Wright

  DOI：10.1021/jm00001a010

  日期：1995.1

  Two series of selective inhibitors of herpes simplex virus types 1 and 2 (HSV1,2) thymidine kinases (TK) have been developed as potential treatment of recurrent virus infections. Among compounds related to the potent base analog N-2-[m-(trifluoromethyl)phenyl]guanine (mCF(3)PG), none was a more potent inhibitor than mCF(3)PG itself. Compounds related to the nucleoside N-2-phenyl-2'-deoxyguanosine (PhdG), but with alkyl, hydroxyalkyl, and related substituents at the 9-position in place of the glycosyl group of PhdG, retained significant but variable inhibitory potencies against the HSV TKs. The most potent inhibitor of HSV1 TK among 9-substituted derivatives, 9-(4-hydroxybutyl)-N-2-phenylguanine (HBPG), was a competitive inhibitor with respect to the substrate thymidine but was not itself a substrate for the enzyme. Water solubilities and 1-octanol:water partition coefficients for the 9-substituted N-2-phenylguanines were linearly but oppositely related to the sum of hydrophobic fragmental constants (Sigma f) of the 9-substituents. Four of the inhibitors were given as solutions to mice by iv and ip routes, and the time course of their plasma concentrations was determined by HPLC analysis of the parent compounds. HBPG was completely absorbed by the ip route, and the plasma concentration could be prolonged by use of suspension formulations. HBPG is a candidate for animal trials of the ability of TK inhibitors to prevent recurrent herpes virus infections.